SCHEMBL17634951

SCHEMBL17634951

COC(=O)c1cccc(Oc2nc(Cl)ncc2F)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.56
POLB P06746 1/20 0.49
CASP6 P55212 1/20 0.49
NR1H2 P55055 2/20 0.47
NR1H3 Q13133 1/20 0.47
ALDH1A1 P00352 2/20 0.46
PIN1 Q13526 1/20 0.46
GAA P10253 1/20 0.46
MET P08581 1/20 0.46
ALK Q9UM73 1/20 0.46
F10 P00742 2/20 0.44
F2 P00734 1/20 0.44
MRGPRX4 Q96LA9 1/20 0.44
CYSLTR1 Q9Y271 1/20 0.43
MAPT P10636 2/20 0.42
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
EGFR P00533 4/20 0.42
ITK Q08881 2/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL31334040 0.78 CDK8 (0.50) L3MBTL1BTK
SCHEMBL2365692 0.77 L3MBTL1 (0.56) L3MBTL1NR1H2NR1H3METALK
SCHEMBL12519774 0.76 MAPK1 (0.54) ALDH1A1MAPTKDM4EEGFRITK
SCHEMBL13166463 0.76 SYK (0.51) POLBCASP6ALDH1A1PIN1GAA
SCHEMBL30672854 0.76 POLB (0.53) POLBCASP6ALDH1A1PIN1GAA
SCHEMBL16706312 0.76 POLB (0.53) POLBCASP6ALDH1A1PIN1GAA
SCHEMBL16370708 0.75 EGFR (0.73) EGFRITKBTK
SCHEMBL4911339 0.75 L3MBTL1 (0.54) L3MBTL1NR1H2NR1H3METALK
SCHEMBL25113772 0.74 POLB (0.50) POLBCASP6ALDH1A1PIN1GAA
SCHEMBL10515255 0.74 RAB9A (0.65) L3MBTL1POLBALDH1A1MRGPRX4MAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9296737-B2 Substituted 2,4-diaminopyrimidines as kinase inhibitors CELGENE AVILOMICS RESEARCH, INC. (US) 2016-03-29 US disclosed
US-9296737-B2 Substituted 2,4-diaminopyrimidines as kinase inhibitors CELGENE AVILOMICS RESEARCH, INC. (US) 2016-03-29 US disclosed